General Information of the Compound
| Compound ID |
CP0527495
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| Compound Name |
N-[2,4-dioxo-1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C35H31N5O4
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| Molecular Weight |
585.664
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| Canonical SMILES |
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1
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| InChI |
InChI=1S/C35H31N5O4/c1-23(2)39(25-14-5-3-6-15-25)31(41)22-38-29-19-11-12-20-30(29)40(26-16-7-4-8-17-26)35(44)32(34(38)43)37-33(42)28-21-24-13-9-10-18-27(24)36-28/h3-21,23,32,36H,22H2,1-2H3,(H,37,42)
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| InChIKey |
IAYFRXOMWAZQGV-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00958, Cholecystokinin receptor type A
Protein ID: PT01124, Gastrin/cholecystokinin type B receptor